2- (Thien-2-yl) benzaldehyde

CAT: 0024-sc-259375ASize: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-259375ASize:1 g

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CAS Number

99902-07-5

Chemical Information

2-(Thiophen-2-yl)benzaldehyde

CAS Number	99902-07-5
PubChem CID	2795558
IUPAC Name	2-thiophen-2-ylbenzaldehyde
Molecular Formula	C11H8OS
Molecular Weight	188.25
XLogP	2.7
Topological Polar Surface Area	45.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	181

SMILES

C1=CC=C(C(=C1)C=O)C2=CC=CS2

InChI

InChI=1S/C11H8OS/c12-8-9-4-1-2-5-10(9)11-6-3-7-13-11/h1-8H

InChIKey

MWYVQGTVFMAUOH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 99902-07-5

CID: 2795558

Formula: C11H8OS

MW: 188.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	188.25
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	188.02958605
Monoisotopic Mass	188.02958605
Topological Polar Surface Area	45.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	181
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-259382	2- (Thien-3-yl) benzaldehyde
sc-256655	4- (Thien-3-yl) benzaldehyde
sc-256437	3- (Thien-3-yl) benzaldehyde
sc-256437A	3- (Thien-3-yl) benzaldehyde
sc-259381	2- (Thien-2-yl) pyrrolidine
sc-259379A	2- (Thien-2-yl) pyridine
sc-259379	2- (Thien-2-yl) pyridine
sc-259381A	2- (Thien-2-yl) pyrrolidine
sc-346873	3-ethoxy-4- (thien-2-ylmethoxy) benzaldehyde
sc-347034	3-methoxy-4- (thien-2-ylmethoxy) benzaldehyde

Catalog	Name
OR1392-01	2- (Thien-2-yl) benzaldehyde
OR23165-01	4- (Thien-2-yl) benzaldehyde
OR7590-01	2- (Thien-3-yl) benzaldehyde
OR7589-01	3- (Thien-2-yl) benzaldehyde
OR7591	3- (Thien-3-yl) benzaldehyde
OR7592-01	4- (Thien-3-yl) benzaldehyde
OR7396	2- (Fur-2-yl) benzaldehyde
NHA17552-01	2- (2-Hydroxypropan-2-yl) benzaldehyde
288109-01	4- (Pyrazin-2-yl) benzaldehyde
OR1081648-01	3- (benzofuran-2-yl) benzaldehyde